cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine

C13H19NO — CID 62078656

IUPACcyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)C2=CCCCC2)c(C)o1
InChIInChI=1S/C13H19NO/c1-9-8-12(10(2)15-9)13(14)11-6-4-3-5-7-11/h6,8,13H,3-5,7,14H2,1-2H3
InChIKeyYRIMRQWSKWLHQO-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.40
Rot. Bonds2

About cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine

cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 62078656) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID62078656
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namecyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)C2=CCCCC2)c(C)o1
InChIInChI=1S/C13H19NO/c1-9-8-12(10(2)15-9)13(14)11-6-4-3-5-7-11/h6,8,13H,3-5,7,14H2,1-2H3
InChIKeyYRIMRQWSKWLHQO-UHFFFAOYSA-N
XLogP3.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine
CID 106656353
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 62079984
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 106654753
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 65307996
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
(2,5-dimethylfuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43464205
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
CID 106859008
cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106657133

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine (CID 62078656) is cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)C2=CCCCC2)c(C)o1.
What is the InChIKey of cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is YRIMRQWSKWLHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-8-12(10(2)15-9)13(14)11-6-4-3-5-7-11/h6,8,13H,3-5,7,14H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine?
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 62078656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).